Showing Metabocard for 4-sulfomuconolactone (BASm0001314)
| Common Name | 4-sulfomuconolactone |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C6H4O7S |
| Average Mass | 220.15000 |
| Monoisotopic Mass | 219.96887 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1 |
| InChI Identifier | InChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)/p-2 |
| InChI Key | WEEOYKXHMIPYQX-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:20479 |
| MiMeDB ID | MMDBc0055541 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |